(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride

C12H17Cl2N3O3 — CID 171183496

IUPAC(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc([C@H](CO)N2CCNCC2)ccc1Cl
InChIInChI=1S/C12H16ClN3O3.ClH/c13-10-2-1-9(7-11(10)16(18)19)12(8-17)15-5-3-14-4-6-15;/h1-2,7,12,14,17H,3-6,8H2;1H/t12-;/m0./s1
InChIKeyGNFAJMZUQONOKH-YDALLXLXSA-N
MW322.19 g/mol
LogP1.61
Rot. Bonds4

About (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171183496) has the molecular formula C12H17Cl2N3O3 and a molecular weight of 322.19 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171183496
Molecular FormulaC12H17Cl2N3O3
Molecular Weight322.19 g/mol
Exact Mass321.06
IUPAC Name(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc([C@H](CO)N2CCNCC2)ccc1Cl
InChIInChI=1S/C12H16ClN3O3.ClH/c13-10-2-1-9(7-11(10)16(18)19)12(8-17)15-5-3-14-4-6-15;/h1-2,7,12,14,17H,3-6,8H2;1H/t12-;/m0./s1
InChIKeyGNFAJMZUQONOKH-YDALLXLXSA-N
XLogP1.61
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-chloro-3-nitrophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189608
1-[(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethyl]piperazine
CID 171278354
(2R)-2-(4-fluoro-3-nitrophenyl)-2-piperazin-1-ylethanol
CID 171183501
1-[(1S)-1-(4-chloro-3-nitrophenyl)-3-methylbut-3-enyl]piperazine
CID 171278382
1-[(1S)-1-(4-chloro-3-nitrophenyl)pentyl]piperazine;dihydrochloride
CID 171309176
(2S)-2-(4-methoxy-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182985
1-[(1S)-1-(4-chloro-3-nitrophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305349
1-[(1S)-1-(4-chloro-3-nitrophenyl)prop-2-enyl]piperazine
CID 171278348
(2S)-2-(3-nitrophenyl)-2-piperazin-1-ylethanol
CID 171182862
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-2-nitrophenol
CID 171189473
1-[(S)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethyl]piperazine
CID 171290991
2-nitro-4-[(1R)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171286533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171183496) is (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride is Cl.O=[N+]([O-])c1cc([C@H](CO)N2CCNCC2)ccc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is GNFAJMZUQONOKH-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16ClN3O3.ClH/c13-10-2-1-9(7-11(10)16(18)19)12(8-17)15-5-3-14-4-6-15;/h1-2,7,12,14,17H,3-6,8H2;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 322.19 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-nitrophenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171183496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).